N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide

C27H25NO5 — CID 2484172

IUPACN-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide
SMILESCCCc1ccc(Oc2coc3cc(OCC(=O)Nc4ccccc4C)ccc3c2=O)cc1
InChIInChI=1S/C27H25NO5/c1-3-6-19-9-11-20(12-10-19)33-25-16-32-24-15-21(13-14-22(24)27(25)30)31-17-26(29)28-23-8-5-4-7-18(23)2/h4-5,7-16H,3,6,17H2,1-2H3,(H,28,29)
InChIKeyMTHOYURSAPLLOD-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.86
Rot. Bonds8

About N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide

N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide (PubChem CID 2484172) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide
PubChem CID2484172
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC NameN-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide
SMILESCCCc1ccc(Oc2coc3cc(OCC(=O)Nc4ccccc4C)ccc3c2=O)cc1
InChIInChI=1S/C27H25NO5/c1-3-6-19-9-11-20(12-10-19)33-25-16-32-24-15-21(13-14-22(24)27(25)30)31-17-26(29)28-23-8-5-4-7-18(23)2/h4-5,7-16H,3,6,17H2,1-2H3,(H,28,29)
InChIKeyMTHOYURSAPLLOD-UHFFFAOYSA-N
XLogP5.86
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide
CID 9372561
N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide
CID 1193132
N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 9372519
2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 2357934
2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
CID 7745073
methyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate
CID 3769565
2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate
CID 7139399
butan-2-yl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 4574769
benzyl 2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1182996
methyl 2-[3-(4-tert-butylphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1033940
2-[[2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetic acid
CID 7139404
N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 1192171

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide (CID 2484172) is N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide is CCCc1ccc(Oc2coc3cc(OCC(=O)Nc4ccccc4C)ccc3c2=O)cc1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide?
The InChIKey is MTHOYURSAPLLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-3-6-19-9-11-20(12-10-19)33-25-16-32-24-15-21(13-14-22(24)27(25)30)31-17-26(29)28-23-8-5-4-7-18(23)2/h4-5,7-16H,3,6,17H2,1-2H3,(H,28,29).
What are the key properties of N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide?
N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide has a molecular weight of 443.50 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide is sourced from PubChem (CID 2484172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).